8-(15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one
| Internal ID | 40348876-65df-4df8-a473-5f0923a5c979 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines > Naphthylquinolines |
| IUPAC Name | 8-(15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H28N2O4/c1-38-16-14-20-18-26(41-3)36(42-4)32-24-12-8-6-10-22(24)30(34(38)28(20)32)29-21-9-5-7-11-23(21)31-27-19(13-15-37-33(27)29)17-25(40-2)35(31)39/h5-13,15,17-18H,14,16H2,1-4H3 |
| InChI Key | WSLMUCJRIGJOSH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H28N2O4 |
| Molecular Weight | 552.60 g/mol |
| Exact Mass | 552.20490738 g/mol |
| Topological Polar Surface Area (TPSA) | 60.90 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 8-(15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/6d7ad980-853e-11ee-9d06-65a349a90fcf.jpg "2D Structure of 8-(15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-yl)-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.52% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.81% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 96.48% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.10% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.71% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.64% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.62% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.38% | 96.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 94.35% | 92.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.00% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.97% | 91.49% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 93.12% | 96.47% |
| CHEMBL240 | Q12809 | HERG | 92.16% | 89.76% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.56% | 96.67% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.38% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.97% | 98.95% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.24% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.31% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.84% | 93.65% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.70% | 90.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 88.22% | 92.98% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.60% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.92% | 95.89% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 85.04% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.86% | 96.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.68% | 92.38% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.92% | 85.94% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.88% | 100.00% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 80.56% | 96.69% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.48% | 83.82% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.30% | 95.83% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Piptostigma fugax |
| Trivalvaria macrophylla |
| PubChem | 154497625 |
| LOTUS | LTS0073829 |
| wikiData | Q104403344 |